N-[2-methyl-5-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]carbonyl-phenyl]furan-2-carboxamide Openeye Name: N-[5-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[2-(propan-2-ylamino)pyridin-1-ium-1-carbonyl]phenyl]furan-2-carboxamide Traditional Name: N-[5-[2-(isopropylamino)pyridin-1-ium-1-carbonyl]-2-methyl-phenyl]-2-furamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21N3O3/c1-14(2)22-19-8-4-5-11-24(19)21(26)16-10-9-15(3)17(13-16)23-20(25)18-7-6-12-27-18/h4-14H,1-3H3,(H,23,25)/p+1